N-tert-butyl-4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-tert-butyl-4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-tert-butyl-4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-tert-butyl-4-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-tert-butyl-4-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-21(2,3)25-19(27)15-7-11-17(12-8-15)23-20(28)24-18(26)13-6-14-4-9-16(22)10-5-14/h4-13H,1-3H3,(H,25,27)(H2,23,24,26,28)/b13-6+